(2S)-2-(cyclopropylcarbamoylamino)-4-phenylbutanoic acid

C14H18N2O3 — CID 104983243

IUPAC(2S)-2-(cyclopropylcarbamoylamino)-4-phenylbutanoic acid
SMILESO=C(NC1CC1)N[C@@H](CCc1ccccc1)C(=O)O
InChIInChI=1S/C14H18N2O3/c17-13(18)12(16-14(19)15-11-7-8-11)9-6-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,17,18)(H2,15,16,19)/t12-/m0/s1
InChIKeyLKTZQOPILDWUSN-LBPRGKRZSA-N
MW262.31 g/mol
LogP1.53
Rot. Bonds6

About (2S)-2-(cyclopropylcarbamoylamino)-4-phenylbutanoic acid

(2S)-2-(cyclopropylcarbamoylamino)-4-phenylbutanoic acid (PubChem CID 104983243) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2S)-2-(cyclopropylcarbamoylamino)-4-phenylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-(cyclopropylcarbamoylamino)-4-phenylbutanoic acid
PubChem CID104983243
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(2S)-2-(cyclopropylcarbamoylamino)-4-phenylbutanoic acid
SMILESO=C(NC1CC1)N[C@@H](CCc1ccccc1)C(=O)O
InChIInChI=1S/C14H18N2O3/c17-13(18)12(16-14(19)15-11-7-8-11)9-6-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,17,18)(H2,15,16,19)/t12-/m0/s1
InChIKeyLKTZQOPILDWUSN-LBPRGKRZSA-N
XLogP1.53
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(cyclopropylcarbamoylamino)-4-phenylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopropylamino)-4-phenylbutanoic acid
CID 62880586
(2S)-2-[(2,2-dimethylcyclopropyl)carbamoylamino]-4-phenylbutanoic acid
CID 104983619
2-[3-(cyclopropylamino)propanoylamino]-4-phenylbutanoic acid
CID 114917573
(2S)-2-(pentan-3-ylcarbamoylamino)-4-phenylbutanoic acid
CID 104983577
(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781
(2S)-2-(cyclopropylsulfamoylamino)-4-phenylbutanoic acid
CID 104983280
2-(cyclopropylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 61187927
(2S)-2-benzamido-4-phenylbutanoic acid
CID 22824842
4-phenyl-2-(piperidine-4-carbonylamino)butanoic acid
CID 114917637
(2S)-2-(but-2-ynylcarbamoylamino)-4-phenylbutanoic acid
CID 104983645
(2S)-2-amino-N-(4-methylcyclohexyl)-4-phenylbutanamide
CID 104983814
(2S)-4-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]butanoic acid
CID 142848800

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclopropylcarbamoylamino)-4-phenylbutanoic acid?
The IUPAC name of (2S)-2-(cyclopropylcarbamoylamino)-4-phenylbutanoic acid (CID 104983243) is (2S)-2-(cyclopropylcarbamoylamino)-4-phenylbutanoic acid.
What is the SMILES notation for (2S)-2-(cyclopropylcarbamoylamino)-4-phenylbutanoic acid?
The canonical SMILES for (2S)-2-(cyclopropylcarbamoylamino)-4-phenylbutanoic acid is O=C(NC1CC1)N[C@@H](CCc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-(cyclopropylcarbamoylamino)-4-phenylbutanoic acid?
The InChIKey is LKTZQOPILDWUSN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(18)12(16-14(19)15-11-7-8-11)9-6-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,17,18)(H2,15,16,19)/t12-/m0/s1.
What are the key properties of (2S)-2-(cyclopropylcarbamoylamino)-4-phenylbutanoic acid?
(2S)-2-(cyclopropylcarbamoylamino)-4-phenylbutanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclopropylcarbamoylamino)-4-phenylbutanoic acid is sourced from PubChem (CID 104983243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).